Structure of PDB 4lfg Chain B Binding Site BS01

Receptor Information
>4lfg Chain B (length=288) Species: 218495 (Streptococcus uberis 0140J) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKLKKIDQTIHAFYCEKAVISEKLNEAVLYSINAGGKRIRPILFLEVIEA
LQIPLTESHFKAAAALEMIHTGSLIHDDLPAMDNDDYRRGQLTNHKKFDE
ATAILAGDSLFLDAFGMLAETDFPTDVTVDLVRSLSSASGTFGMVGGQML
DMAAEGKKLNLKNLQLIHRHKTGQLLAYPFWAAARVAQLDENLLATFLEI
GMIIGLAFQVRDDILDITANFEEIGKTPKKDVMAEKMTYPHLLGLNESYQ
ILDESLDQAEAILRKLSDEIAFAPQKILSLIERLRLDA
Ligand information
Ligand IDIPE
InChIInChI=1S/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
InChIKeyNUHSROFQTUXZQQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=C)CCO[P](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0CC(=C)CCOP(=O)(O)OP(=O)(O)O
ACDLabs 10.04O=P(OP(=O)(O)O)(OCC\C(=C)C)O
OpenEye OEToolkits 1.5.0CC(=C)CCO[P@@](=O)(O)OP(=O)(O)O
CACTVS 3.341CC(=C)CCO[P@](O)(=O)O[P](O)(O)=O
FormulaC5 H12 O7 P2
Name3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE;
ISOPENTENYL PYROPHOSPHATE
ChEMBLCHEMBL356362
DrugBankDB04714
ZINCZINC000008215654
PDB chain4lfg Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lfg Crystal Structure of Geranylgeranyl Diphosphate Synthase from Streptococcus Uberis 0140J
Resolution1.76 Å
Binding residue
(original residue number in PDB)		D78 R89 K172 T173 D213 K227
Binding residue
(residue number reindexed from 1)		D77 R88 K171 T172 D212 K226
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.10: (2E,6E)-farnesyl diphosphate synthase.
Gene Ontology
Molecular Function
GO:0004337 geranyltranstransferase activity
GO:0004659 prenyltransferase activity
GO:0016740 transferase activity
GO:0046872 metal ion binding
Biological Process
GO:0008299 isoprenoid biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lfg, PDBe:4lfg, PDBj:4lfg
PDBsum4lfg
PubMed
UniProtB9DUT7

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